CID 34712

5,5-diisopropyltetrahydro-3-furanol

Structural Information

Molecular Formula
C10H20O2
SMILES
CC(C)C1(CC(CO1)O)C(C)C
InChI
InChI=1S/C10H20O2/c1-7(2)10(8(3)4)5-9(11)6-12-10/h7-9,11H,5-6H2,1-4H3
InChIKey
NCTFVWWTDZHSKZ-UHFFFAOYSA-N
Compound name
5,5-di(propan-2-yl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.14633 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.15361 140.7
[M+Na]+ 195.13555 146.4
[M-H]- 171.13905 143.3
[M+NH4]+ 190.18015 162.9
[M+K]+ 211.10949 147.0
[M+H-H2O]+ 155.14359 137.0
[M+HCOO]- 217.14453 158.7
[M+CH3COO]- 231.16018 179.0
[M+Na-2H]- 193.12100 142.8
[M]+ 172.14578 139.7
[M]- 172.14688 139.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.